AF-399/15285003
TL;DR: AF-399/15285003 (CAS 385406-44-0) is a chemical compound with molecular formula C23H20BrN3O4 and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
Also Known As: AF-399/15285003, methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate, methyl [6-bromo-2-(4-nitrophenyl)-4-phenyl-1,4-dihydroquinazolin-3(2H)-yl]acetate, methyl (6-bromo-2-{4-nitrophenyl}-4-phenyl-1,4-dihydro-3(2H)-quinazolinyl)acetate, methyl 2-(6-bromo-2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazolin-3(4H)-yl)acetate
| Molecular Formula | C23H20BrN3O4 |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 5.046 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.06372 |
| Heavy Atoms | 31 |
| Complexity | 1105.5642 |
Chemical Identifiers
| CAS Number | 385406-44-0 |
|---|---|
| SMILES | COC(=O)CN1C(C2=C(C=CC(=C2)Br)NC1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
AF-399/15285003 (CAS 385406-44-0), with molecular formula C23H20BrN3O4 and molecular weight 481.06 g/mol. IUPAC: methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate.
Chemical Property Profile of AF-399/15285003
Property Insights of AF-399/15285003
The XLogP value of 5.046 indicates that AF-399/15285003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15285003. Following Lipinski's Rule of Five, AF-399/15285003 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15285003?
The CAS number of AF-399/15285003 is 385406-44-0.
What is the molecular formula of AF-399/15285003?
The molecular formula of AF-399/15285003 is C23H20BrN3O4.
What is the molecular weight of AF-399/15285003?
The molecular weight of AF-399/15285003 is 481.06 g/mol.
Where can I buy AF-399/15285003?
You can request a quote for AF-399/15285003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15285003?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15285003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.